methyl 4-[2-oxidanylidene-3-(4-piperidin-4-ylphenyl)imidazolidin-1-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[2-oxidanylidene-3-(4-piperidin-4-ylphenyl)imidazolidin-1-yl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[2-oxo-3-[4-(4-piperidyl)phenyl]imidazolidin-1-yl]cyclohexanecarboxylate CAS Name: 4-[2-oxo-3-[4-(4-piperidinyl)phenyl]-1-imidazolidinyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-oxo-3-(4-piperidin-4-ylphenyl)imidazolidin-1-yl]cyclohexane-1-carboxylate Traditional Name: 4-[2-keto-3-[4-(4-piperidyl)phenyl]imidazolidin-1-yl]cyclohexanecarboxylic acid methyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N2CCN(C2=O)C3=CC=C(C=C3)C4CCNCC4

Isomeric SMILES

COC(=O)C1CCC(CC1)N2CCN(C2=O)C3=CC=C(C=C3)C4CCNCC4

InChI

InChI=1S/C22H31N3O3/c1-28-21(26)18-4-8-20(9-5-18)25-15-14-24(22(25)27)19-6-2-16(3-7-19)17-10-12-23-13-11-17/h2-3,6-7,17-18,20,23H,4-5,8-15H2,1H3